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Najafi H.,Farayand Sabz Engineering Company | Maghbooli B.,Farayand Sabz Engineering Company | Sobati M.A.,Iran University of Science and Technology
Fluid Phase Equilibria | Year: 2015

Various fast estimation methods such as Chueh-Prausnitz, Grieves-Thodos, modified Wilson, and Redlich-Kister are available for predicting vapor-liquid critical temperature of fluid mixtures. In order to use these methods for a multi-component mixture, interaction parameters are required for each binary set of components. In the present work, 4524 experimental data on true critical temperature of 571 binary mixtures were collected through comprehensive literature search. Based on this data set, the available fast estimation methods were extended and new interaction parameters for each binary set were introduced. In order to extend the applicability of these methods, new correlations were developed to estimate interaction parameters. Finally, the capability of different methods was evaluated for predicting true critical temperature of 68 different multi-component mixtures with 427 data points. © 2015 Elsevier B.V. Source


Maghbooli B.,Farayand Sabz Engineering Company | Najafi H.,Farayand Sabz Engineering Company | Sobati M.A.,Iran University of Science and Technology
Computational Thermal Sciences | Year: 2015

In the present study, a gene expression programming algorithm has been applied to propose new and accurate correlations for estimating total emissivity of CO2-H2O homogeneous mixtures in air-fuel combustion environment without soot formation at atmospheric condition. The main parameters of the correlations include temperature (T: 300-2500 K), partial pressure of water vapor (pw: 2.0265-20.265 kPa), partial pressure of carbon dioxide (pc: 4.053-20.265 kPa), and mean beam length (L: 0.01-25 m). The RADCAL statistical narrow-band model was used in order to generate 78,000 values of total emissivity to be used as the benchmark data for the correlations. 34,620 total emissivity data points were selected for developing the correlations and 43,380 data points were selected for the optimization and testing the capability of the correlations. All the benchmark data were split into two sub-data sets based on temperature (i.e., the first data set: 300 K ≤ T ≤1200 K, the second data set: 1200 K ≤ T ≤ 2500 K). For each sub-data set, different correlations have been developed. The average absolute relative deviations of the estimated results from the benchmark data are 3.6% of the low temperature, and 3.9% of the high temperature data sets. © 2015 by Begell House, Inc. Source


Najafi H.,Farayand Sabz Engineering Company | Maghbooli B.,Farayand Sabz Engineering Company | Sobati M.A.,Iran University of Science and Technology
Fluid Phase Equilibria | Year: 2014

Chueh-Prausnitz method was proposed in 1967 for prediction of vapor-liquid critical temperature of multi-component mixtures. In order to calculate true critical temperature by this method, a binary interaction parameter (τij) is required for each binary set of components in the multi-component mixtures. τij for a binary set is evaluated by considering experimental data on critical temperature of the binary mixture. As the data used in the original paper were published earlier than 1967, it is necessary to add more recent experimental data on critical temperature in order to extend prediction capability of this method. In the present study, 4070 experimental data on vapor-liquid critical temperature for 529 different binary systems has been collected by a comprehensive literature review and a new interaction parameter (τij) is introduced for each binary system. Besides, a set of correlations has been developed in order to estimate τij for different systems containing different chemical families. Finally, the capability of the extended methods has been evaluated for prediction of critical temperature of 205 multi-component mixtures. The prediction results show average absolute relative deviation (AARD) of 1.5% from experimental values of critical temperature. © 2013 Elsevier B.V. Source


Sobati M.A.,Iran University of Science and Technology | Abooali D.,Iran University of Science and Technology | Maghbooli B.,Farayand Sabz Engineering Company | Najafi H.,Farayand Sabz Engineering Company
Chemometrics and Intelligent Laboratory Systems | Year: 2016

In this study, a new quantitative structure-property relationship (QSPR) has been proposed to estimate true vapor-liquid critical volume of multi-component mixtures. In developing this model, 598 experimental data on true critical volume for 110 different binary mixtures were applied. The mixture molecular descriptors were computed according to the molecular descriptors of pure components involved in the mixture and their molar fractions. Enhanced replacement method (ERM), as an effective tool for subset variable selection, was utilized. The proposed model is simple multivariate linear equations with six variables. The prediction capability of the proposed model for different families of compounds was critically analyzed. Besides, the capability of the proposed model has been tested by predicting true critical volume of 7 different multi-component mixtures containing 40 experimental data points. The average absolute relative deviation of the proposed QSPR model over all experimental data is 9.7% and 8.7% for binary mixtures and multi-component mixtures, respectively. © 2016 Elsevier B.V. Source


Najafi H.,Farayand Sabz Engineering Company | Maghbooli B.,Farayand Sabz Engineering Company | Sobati M.A.,Iran University of Science and Technology
Fluid Phase Equilibria | Year: 2015

Various fast estimation methods such as Chueh-Prausnitz, modified Wilson, and Redlich-Kister were proposed for the prediction of vapor-liquid critical volume of fluid mixtures. In order to calculate true critical volume by these methods, some binary interaction parameters are required for each binary set of compounds in the mixture. Experimental data on true critical volume of mixtures is scarce. Therefore, methods like Chueh-Prausnitz were developed to some extent, while other methods such as modified Wilson, and Redlich-Kister have limited applications. In the present work, 630 experimental data on true critical volume for 116 different binary mixtures has been collected by comprehensive literature search. Then by introducing new interaction parameters for each binary set based on using all available experimental data, previous methods have been revisited and new methods have been introduced, as well. Besides, new correlations have been developed to estimate different interaction parameters in order to extend the applicability of these methods. Finally, the capability of different methods has been tested by predicting true critical volume of 8 different multi-component mixtures containing 54 experimental data points. © 2014 Elsevier B.V. Source

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